(2E,4E,6S)-4,6-dimethylocta-2,4-dienoic acid
PubChem CID: 14589994
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| Topological Polar Surface Area | 37.3 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 202.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2E,4E,6S)-4,6-dimethylocta-2,4-dienoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C10H16O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ZTBFQZGCFALGOE-VZLNXUHBSA-N |
| Fcsp3 | 0.5 |
| Logs | -0.85 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.048 |
| Compound Name | (2E,4E,6S)-4,6-dimethylocta-2,4-dienoic acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 168.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 168.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -2.6224631999999994 |
| Inchi | InChI=1S/C10H16O2/c1-4-8(2)7-9(3)5-6-10(11)12/h5-8H,4H2,1-3H3,(H,11,12)/b6-5+,9-7+/t8-/m0/s1 |
| Smiles | CC[C@H](C)/C=C(\C)/C=C/C(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rabdosia Longituba (Plant) Rel Props:Source_db:cmaup_ingredients